AB00668879-01
TL;DR: AB00668879-01 (CAS 536715-94-3) is a chemical compound with molecular formula C27H21F3N4O2S and molecular weight 522.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethylphenyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668879-01, F0580-0967, N-(3,5-dimethylphenyl)-2-((4-oxo-3-(3-(trifluoromethyl)phenyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(3,5-dimethylphenyl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(3,5-dimethylphenyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C27H21F3N4O2S |
|---|---|
| Molecular Weight | 522.13 g/mol |
| LogP | 6.23344 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.1337 |
| Heavy Atoms | 37 |
| Complexity | 1702.9706 |
Chemical Identifiers
| CAS Number | 536715-94-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC(=C4)C(F)(F)F)NC5=CC=CC=C53)C |
Product Overview
AB00668879-01 (CAS 536715-94-3), with molecular formula C27H21F3N4O2S and molecular weight 522.13 g/mol. IUPAC: N-(3,5-dimethylphenyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668879-01
Property Insights of AB00668879-01
The XLogP value of 6.23344 indicates that AB00668879-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668879-01. Following Lipinski's Rule of Five, AB00668879-01 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668879-01?
The CAS number of AB00668879-01 is 536715-94-3.
What is the molecular formula of AB00668879-01?
The molecular formula of AB00668879-01 is C27H21F3N4O2S.
What is the molecular weight of AB00668879-01?
The molecular weight of AB00668879-01 is 522.13 g/mol.
Where can I buy AB00668879-01?
You can request a quote for AB00668879-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668879-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668879-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.